[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C17H26N2O4 — CID 97216177

IUPAC[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2
InChIInChI=1S/C17H26N2O4/c1-4-22-15-10-14(20)17(15)5-7-19(8-6-17)16(21)13-9-12(11(2)3)18-23-13/h9,11,14-15,20H,4-8,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyUKGHTZLQBRBSQZ-CABCVRRESA-N
MW322.40 g/mol
LogP2.19
Rot. Bonds4

About [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 97216177) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID97216177
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2
InChIInChI=1S/C17H26N2O4/c1-4-22-15-10-14(20)17(15)5-7-19(8-6-17)16(21)13-9-12(11(2)3)18-23-13/h9,11,14-15,20H,4-8,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyUKGHTZLQBRBSQZ-CABCVRRESA-N
XLogP2.19
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
6-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidine-2,4-dione
CID 72937772
[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 133134947
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 133135434
4-hydroxy-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119251722
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(4-ethyl-2-hydroxyphenyl)methanone
CID 124623467
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
(1,3-dimethylpyrazol-4-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97100859
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 70776664

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 97216177) is [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2.
What is the InChIKey of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is UKGHTZLQBRBSQZ-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-22-15-10-14(20)17(15)5-7-19(8-6-17)16(21)13-9-12(11(2)3)18-23-13/h9,11,14-15,20H,4-8,10H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 322.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97216177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).